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Home Other Building Blocks Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 2-(methylthio)-5,7-bis(trifluoromethyl)-

Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 2-(methylthio)-5,7-bis(trifluoromethyl)-

CAS No.:
175203-36-8
Catalog Number:
AG0020JH
Molecular Formula:
C10H6F6N4OS
Molecular Weight:
344.2363
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Product Description
Catalog Number:
AG0020JH
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 2-(methylthio)-5,7-bis(trifluoromethyl)-
CAS Number:
175203-36-8
Molecular Formula:
C10H6F6N4OS
Molecular Weight:
344.2363
MDL Number:
MFCD00174394
IUPAC Name:
2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
InChI:
InChI=1S/C10H6F6N4OS/c1-22-8-5(6(17)21)7-18-3(9(11,12)13)2-4(10(14,15)16)20(7)19-8/h2H,1H3,(H2,17,21)
InChI Key:
LQPGMZRJIRKDEN-UHFFFAOYSA-N
SMILES:
CSc1nn2c(c1C(=O)N)nc(cc2C(F)(F)F)C(F)(F)F
Properties
Complexity:
444  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.017g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
344.235g/mol
Monoisotopic Mass:
344.017g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
98.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties